| SpectraBase Compound ID | 28rodQ8gP90 |
|---|---|
| InChI | InChI=1S/C31H48O6/c1-17-9-14-31(34-16-17)18(2)27-26(37-31)15-24-21-7-8-23-28(36-20(4)33)25(35-19(3)32)11-13-29(23,5)22(21)10-12-30(24,27)6/h17-18,21-28H,7-16H2,1-6H3/t17-,18-,21+,22-,23-,24-,25+,26-,27-,28+,29+,30-,31+/m0/s1 |
| InChIKey | DBDIEQZAQHGHAJ-SSBQRHDWSA-N |
| Mol Weight | 516.7 g/mol |
| Molecular Formula | C31H48O6 |
| Exact Mass | 516.345089 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LL0P6Fzdppw |
|---|---|
| Name | 3-ALPHA,4-BETA-(25R)-5-ALPHA-SPIROSTAN |
| CAS Registry Number | 61010-53-5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H48O6 |
| InChI | InChI=1S/C31H48O6/c1-17-9-14-31(34-16-17)18(2)27-26(37-31)15-24-21-7-8-23-28(36-20(4)33)25(35-19(3)32)11-13-29(23,5)22(21)10-12-30(24,27)6/h17-18,21-28H,7-16H2,1-6H3/t17-,18-,21+,22-,23-,24-,25+,26-,27-,28+,29+,30-,31+/m0/s1 |
| InChIKey | DBDIEQZAQHGHAJ-SSBQRHDWSA-N |
| Literature Reference Author | C.L.VANANTWERP,H.EGGERT,G.D.MEAKINS,J.O.MINERS,C.DJERASSI |
| Literature Reference Citation | J.ORG.CHEM.,42,789(1977) |
| Literature Reference DOI | 10.1021/jo00425a005 |
| Molecular Weight | 516.719 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW9716 |